Information card for entry 2216409

Structure parameters

• Chemical name: diaquabis{4-[(6-chloropyridin-3-yl)methoxy]benzoato}cadmium(II)
• Formula: C26 H22 Cd Cl2 N2 O8
• Calculated formula: C26 H22 Cd Cl2 N2 O8
• SMILES: C1(c2ccc(cc2)OCc2ccc(nc2)Cl)=[O][Cd]2(O1)([O]=C(c1ccc(cc1)OCc1ccc(nc1)Cl)O2)([OH2])[OH2]
• Title of publication: Diaquabis{4-[(6-chloropyridin-3-yl)methoxy]benzoato}cadmium(II)
• Authors of publication: Shun-Li Li; Jie Liu; Ying-Ying Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2956 - m2956
• a: 42.179 ± 0.008 Å
• b: 5.355 ± 0.001 Å
• c: 12.068 ± 0.002 Å
• α: 90°
• β: 105.688 ± 0.003°
• γ: 90°
• Cell volume: 2624.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes